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824968-56-1 | 1H-Pyrazolo[4,3-c]isoquinoline, 3,9-dimethyl-5-phenyl-
CAS No: 824968-56-1 Catalog No: AG004ZG0 MDL No:
Product Description
Catalog Number:
AG004ZG0
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 3,9-dimethyl-5-phenyl-
CAS Number:
824968-56-1
Molecular Formula:
C18H15N3
Molecular Weight:
273.3318
IUPAC Name:
3,9-dimethyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C18H15N3/c1-11-7-6-10-14-15(11)18-16(12(2)20-21-18)19-17(14)13-8-4-3-5-9-13/h3-10H,1-2H3,(H,20,21)
InChI Key:
XNHGACKFBKAFGG-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c2c1nc(c1ccccc1)c1c2c(C)ccc1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.339g/mol
Monoisotopic Mass:
273.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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